7JV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C15	C16	doub	1.38Å	1.35Å	Aromatic
C15	C14	sing	1.38Å	1.40Å	Aromatic
C19	O20	sing	1.43Å	1.41Å
C19	C14	sing	1.51Å	1.50Å
C21	O20	sing	1.43Å	1.42Å
C16	C17	sing	1.38Å	1.35Å	Aromatic
C14	C1	doub	1.39Å	1.42Å	Aromatic
C17	C18	doub	1.38Å	1.39Å	Aromatic
C1	C18	sing	1.39Å	1.38Å	Aromatic
C1	C2	sing	1.48Å	1.43Å
C2	C7	doub	1.39Å	1.40Å	Aromatic
C2	C5	sing	1.40Å	1.41Å	Aromatic
C7	C8	sing	1.39Å	1.39Å	Aromatic
C5	C6	doub	1.38Å	1.37Å	Aromatic
C8	C12	sing	1.47Å	1.40Å
C8	C9	doub	1.41Å	1.36Å	Aromatic
O13	C12	doub	1.22Å	1.34Å
C6	C9	sing	1.39Å	1.38Å	Aromatic
C6	O4	sing	1.36Å	1.35Å
C12	N3	sing	1.35Å	1.35Å
C9	N10	sing	1.38Å	1.37Å
N3	C11	doub	1.30Å	1.38Å
N10	C11	sing	1.34Å	1.38Å
C11	H1	sing	1.08Å	1.08Å
C15	H2	sing	1.08Å	1.08Å
C16	H3	sing	1.08Å	1.08Å
C17	H4	sing	1.08Å	1.08Å
C18	H5	sing	1.08Å	1.08Å
C19	H6	sing	1.09Å	1.10Å
C19	H7	sing	1.09Å	1.10Å
C21	H8	sing	1.09Å	1.10Å
C21	H9	sing	1.09Å	1.10Å
C21	H10	sing	1.09Å	1.10Å
O4	H11	sing	0.97Å	0.95Å
C5	H12	sing	1.08Å	1.08Å
C7	H13	sing	1.08Å	1.08Å
N10	H14	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C16	C15	C14	122.6°	120.1°
C15	C16	C17	119.4°	120.2°
C16	C15	H2	118.7°	120.0°
C15	C16	H3	120.3°	119.9°
C15	C14	C19	117.7°	120.0°
C15	C14	C1	118.7°	119.9°
C14	C15	H2	118.7°	120.0°
O20	C19	C14	112.4°	109.5°
C19	O20	C21	118.5°	114.0°
O20	C19	H6	108.7°	109.4°
O20	C19	H7	108.8°	109.5°
C19	C14	C1	123.6°	120.1°
C14	C19	H6	108.7°	109.4°
C14	C19	H7	108.8°	109.5°
O20	C21	H8	109.5°	109.4°
O20	C21	H9	109.5°	109.4°
O20	C21	H10	109.4°	109.5°
C16	C17	C18	120.3°	120.1°
C17	C16	H3	120.3°	119.9°
C16	C17	H4	119.9°	119.9°
C14	C1	C18	116.5°	119.8°
C14	C1	C2	123.7°	120.1°
C17	C18	C1	122.5°	119.9°
C18	C17	H4	119.8°	119.9°
C17	C18	H5	118.7°	120.1°
C18	C1	C2	119.8°	120.1°
C1	C18	H5	118.8°	120.1°
C1	C2	C7	123.5°	119.9°
C1	C2	C5	118.6°	119.8°
C7	C2	C5	117.8°	120.3°
C2	C7	C8	121.0°	119.5°
C2	C7	H13	119.5°	120.3°
C2	C5	C6	120.4°	120.5°
C2	C5	H12	119.8°	119.8°
C7	C8	C12	122.5°	122.0°
C7	C8	C9	119.6°	120.2°
C8	C7	H13	119.5°	120.2°
C5	C6	C9	120.7°	119.8°
C5	C6	O4	123.1°	120.1°
C6	C5	H12	119.8°	119.8°
C12	C8	C9	117.9°	117.8°
C8	C12	O13	124.7°	121.0°
C8	C12	N3	121.8°	118.1°
C8	C9	C6	120.5°	119.7°
C8	C9	N10	122.9°	118.4°
O13	C12	N3	113.4°	121.0°
C9	C6	O4	116.3°	120.1°
C6	C9	N10	116.5°	121.8°
C6	O4	H11	109.5°	114.0°
C12	N3	C11	117.5°	121.8°
C9	N10	C11	116.3°	120.5°
C9	N10	H14	121.9°	119.8°
N3	C11	N10	123.5°	123.4°
N3	C11	H1	118.2°	118.3°
N10	C11	H1	118.3°	118.3°
C11	N10	H14	121.8°	119.7°
H6	C19	H7	109.4°	109.5°
H8	C21	H9	109.4°	109.5°
H8	C21	H10	109.5°	109.5°
H9	C21	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C16	C15	C14	H2	180.0°	179.7°
C16	C15	C14	C19	179.6°	180.0°
C15	C16	C17	H3	180.0°	179.9°
C16	C15	C14	C1	2.9°	0.0°
C15	C16	C17	C18	2.4°	0.1°
C15	C16	C17	H4	177.6°	180.0°
C15	C14	C19	O20	94.7°	0.0°
C15	C14	C19	C1	177.3°	180.0°
C14	C15	C16	C17	2.7°	0.0°
C15	C14	C1	C18	2.8°	0.0°
C15	C14	C1	C2	179.9°	180.0°
C14	C15	C16	H3	177.4°	180.0°
C15	C14	C19	H6	144.9°	120.0°
C15	C14	C19	H7	25.8°	120.0°
O20	C19	C14	H6	120.4°	120.0°
O20	C19	C14	H7	120.5°	120.0°
O20	C19	C14	C1	88.0°	180.0°
O20	C19	H6	H7	118.7°	120.0°
C19	O20	C21	H8	180.0°	180.0°
C19	O20	C21	H9	60.0°	60.0°
C19	O20	C21	H10	60.0°	60.0°
C14	C19	O20	C21	170.1°	180.0°
C19	C14	C1	C18	179.9°	180.0°
C19	C14	C1	C2	2.8°	0.0°
C19	C14	C15	H2	0.3°	0.3°
C14	C19	H6	H7	118.7°	120.0°
C21	O20	C19	H6	49.7°	60.0°
C21	O20	C19	H7	69.4°	59.9°
O20	C21	H8	H9	120.0°	119.9°
O20	C21	H8	H10	120.0°	120.0°
O20	C21	H9	H10	120.0°	120.0°
C16	C17	C18	H4	180.0°	179.9°
C16	C17	C18	C1	2.5°	0.1°
C17	C16	C15	H2	177.4°	179.8°
C16	C17	C18	H5	177.5°	180.0°
C14	C1	C18	C17	2.6°	0.0°
C14	C1	C18	C2	177.3°	179.9°
C14	C1	C2	C7	42.1°	130.0°
C14	C1	C2	C5	135.0°	49.5°
C1	C14	C15	H2	177.1°	179.7°
C14	C1	C18	H5	177.3°	179.9°
C1	C14	C19	H6	32.4°	60.0°
C1	C14	C19	H7	151.5°	60.0°
C17	C18	C1	H5	180.0°	179.9°
C17	C18	C1	C2	179.9°	179.9°
C18	C17	C16	H3	177.7°	180.0°
C18	C1	C2	C7	135.0°	49.9°
C18	C1	C2	C5	47.9°	130.6°
C1	C18	C17	H4	177.5°	180.0°
C1	C2	C7	C5	177.1°	179.5°
C1	C2	C7	C8	178.2°	180.0°
C1	C2	C5	C6	179.8°	180.0°
C2	C1	C18	H5	0.1°	0.0°
C1	C2	C5	H12	0.2°	0.1°
C1	C2	C7	H13	1.8°	0.5°
C2	C7	C8	H13	180.0°	179.4°
C7	C2	C5	C6	2.6°	0.5°
C2	C7	C8	C12	179.5°	180.0°
C2	C7	C8	C9	0.1°	0.3°
C7	C2	C5	H12	177.5°	179.4°
C5	C2	C7	C8	1.1°	0.5°
C2	C5	C6	H12	180.0°	179.9°
C2	C5	C6	C9	3.0°	0.2°
C2	C5	C6	O4	177.4°	179.7°
C5	C2	C7	H13	178.9°	180.0°
C7	C8	C12	C9	179.6°	179.7°
C7	C8	C12	O13	1.4°	0.3°
C7	C8	C9	C6	0.4°	0.0°
C7	C8	C12	N3	178.2°	180.0°
C7	C8	C9	N10	178.9°	180.0°
C5	C6	C9	C8	1.9°	0.1°
C5	C6	C9	O4	179.7°	179.9°
C5	C6	C9	N10	177.5°	179.9°
C5	C6	O4	H11	180.0°	90.0°
C8	C12	O13	N3	177.0°	179.7°
C12	C8	C9	C6	179.2°	179.7°
C12	C8	C9	N10	1.5°	0.3°
C8	C12	N3	C11	2.3°	0.0°
C12	C8	C7	H13	0.5°	0.6°
C9	C8	C12	O13	178.1°	180.0°
C8	C9	C6	N10	179.4°	180.0°
C8	C9	C6	O4	178.4°	180.0°
C9	C8	C12	N3	1.4°	0.3°
C8	C9	N10	C11	3.3°	0.0°
C9	C8	C7	H13	179.9°	179.7°
C8	C9	N10	H14	176.7°	179.9°
O13	C12	N3	C11	179.3°	179.7°
C6	C9	N10	C11	177.4°	180.0°
C9	C6	O4	H11	0.3°	90.0°
C9	C6	C5	H12	177.0°	179.7°
C6	C9	N10	H14	2.6°	0.0°
O4	C6	C9	N10	2.2°	0.0°
O4	C6	C5	H12	2.6°	0.3°
C12	N3	C11	N10	0.4°	0.3°
C12	N3	C11	H1	179.7°	180.0°
C9	N10	C11	N3	2.3°	0.3°
C9	N10	C11	H14	180.0°	180.0°
C9	N10	C11	H1	177.6°	180.0°
N3	C11	N10	H1	180.0°	179.7°
N3	C11	N10	H14	177.6°	179.8°
H1	C11	N10	H14	2.4°	0.0°
H2	C15	C16	H3	2.6°	0.3°
H3	C16	C17	H4	2.3°	0.1°
H4	C17	C18	H5	2.5°	0.2°
H8	C21	H9	H10	120.0°	120.1°

Release date:	2017-11-22
Definition date:	2016-11-02
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	5PA3